Hartree-Fock-Slater Method for Materials Science : The DV-Xa Method for Design and Characterization of Materials
Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbit...
שמור ב:
| מחבר ראשי: | |
|---|---|
| מחברים אחרים: | , |
| פורמט: | Livre numérique |
| שפה: | Anglais |
| יצא לאור: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
2006.
Cham : Springer Nature |
| סדרה: | Springer Series in Materials Science
84 |
| גישה מקוונת: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| הערה: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Hartree-Fock-Slater Method for Materials Science, Texte imprimé, 9783642063848 • Hartree-Fock-Slater Method for Materials Science, Texte imprimé, 9783540807476 • Hartree-Fock-Slater Method for Materials Science, Texte imprimé, 9783540245087 |
| LEADER | 03466nam a22003617a 4500 | ||
|---|---|---|---|
| 001 | 938279 | ||
| 008 | 080410s2006 xx ||| |||| 00| 0 eng d | ||
| 009 | PPN123123526 | ||
| 020 | |a 9783540312970 | ||
| 041 | 0 | |a eng | |
| 082 | |a 530.41 | ||
| 100 | 1 | |a Adachi, Hirohiko, |d 19..- | |
| 245 | 1 | 0 | |a Hartree-Fock-Slater Method for Materials Science : |b The DV-Xa Method for Design and Characterization of Materials |c edited by Hirohiko Adachi, Takeshi Mukoyama, Jun Kawai. |
| 260 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg. | ||
| 260 | |a Cham : |b Springer Nature, |c 2006. | ||
| 490 | 0 | |a Springer Series in Materials Science |v 84 |x 2196-2812 | |
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 505 | 0 | |a Fundamental -- DV-X? Method and Molecular Structure -- Materials Science -- Alloy Design Based on the DV-X? Cluster Method -- Chemical Bonding Around Lattice Imperfections in 3d-Transition Metal Compounds -- Ceramics -- Magnetic Properties -- Optical Materials -- Heavy Elements -- Spectroscopy -- Radiative Transitions -- Response to the Creation of a Core Hole in Transition-Metal Compounds -- Determining Electronic Structure from Auger Spectra in the Cluster Approximation. | |
| 506 | |a Accès en ligne pour les établissements français bénéficiaires des licences nationales | ||
| 506 | |a Accès soumis à abonnement pour tout autre établissement | ||
| 506 | |a Conditions particulières de réutilisation pour les bénéficiaires des licences nationales. chttps://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 | ||
| 520 | |a Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method. | ||
| 700 | 1 | |a Kawai, Jun, |d 19..- |4 pbd | |
| 700 | 1 | |a Mukoyama, Takeshi, |d 19..- |4 pbd | |
| 776 | 0 | |t Hartree-Fock-Slater Method for Materials Science |b Texte imprimé |z 9783642063848 | |
| 776 | 0 | |t Hartree-Fock-Slater Method for Materials Science |b Texte imprimé |z 9783540807476 | |
| 776 | 0 | |t Hartree-Fock-Slater Method for Materials Science |b Texte imprimé |z 9783540245087 | |
| 856 | 4 | |q PDF |u https://doi.org/10.1007/3-540-31297-8 |z Accès sur la plateforme de l'éditeur | |
| 856 | 4 | |u https://revue-sommaire.istex.fr/ark:/67375/8Q1-Q4R1RG9C-C |z Accès sur la plateforme Istex | |
| 856 | 4 | |5 452349901:747901147 |u https://ezproxy.univ-orleans.fr/login?url=https://dx.doi.org/10.1007/3-540-31297-8 |z Accès Université d'Orléans | |
| 856 | 4 | |5 180339901:750914203 |u https://ezproxy.insa-cvl.fr/login?qurl=https://dx.doi.org/10.1007/3-540-31297-8 |z Accès INSA CVL | |
| 997 | |0 938279 |1 Livre numérique |a Ressource numérique |b INSA |b ENSA |c 0/Bibliothèque numérique/ |c 1/Bibliothèque numérique/Autre ressource numérique/ | ||